Difference between revisions of "Write thermo"
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Miguel Caro (talk | contribs) (Created page with "<code>write_thermo</code> determines how often (every how many time steps) thermodynamic information is written to file <code>thermo.log</code> during molecular dynamics....") |
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=== Example === | === Example === | ||
| − | [[ | + | [[write_thermo]] = 10 # writes out thermodynamic information every 10 time steps |
[[write_xyz]] = 100 # writes out trajectory information every 100 time steps | [[write_xyz]] = 100 # writes out trajectory information every 100 time steps | ||
Latest revision as of 06:34, 9 August 2021
write_thermo determines how often (every how many time steps) thermodynamic information is written to file thermo.log during molecular dynamics.
Summary
| Required/optional | Type | Accepted values | Default | See also |
|---|---|---|---|---|
| Optional | Integer | Any positive integer | 1 | writeouts, write_xyz
|
Example
write_thermo = 10 # writes out thermodynamic information every 10 time steps write_xyz = 100 # writes out trajectory information every 100 time steps
